{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "C" "C" "C" "C" ] } "a" { "source-value" [ 3.61764 3.375245 3.225018 3.11587 3.030093 2.959422 2.899326 2.847047 2.800784 2.759294 2.721684 2.687289 2.655604 2.626231 2.598857 2.573227 2.549131 2.526396 2.504878 2.484451 2.465011 2.446467 2.428739 2.41176 2.394595 2.376905 2.35866 2.339821 2.32035 2.300202 2.27933 2.257677 2.235185 2.211785 2.187401 2.161947 2.135323 2.107419 2.078103 2.047226 2.014613 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.6176400000000003e-10 3.3752450000000003e-10 3.2250180000000003e-10 3.1158700000000003e-10 3.030093e-10 2.959422e-10 2.899326e-10 2.847047e-10 2.8007840000000004e-10 2.759294e-10 2.721684e-10 2.6872889999999997e-10 2.655604e-10 2.626231e-10 2.5988570000000004e-10 2.5732270000000003e-10 2.549131e-10 2.526396e-10 2.504878e-10 2.484451e-10 2.465011e-10 2.446467e-10 2.428739e-10 2.41176e-10 2.394595e-10 2.376905e-10 2.35866e-10 2.339821e-10 2.32035e-10 2.300202e-10 2.2793299999999998e-10 2.2576770000000003e-10 2.235185e-10 2.211785e-10 2.187401e-10 2.161947e-10 2.1353230000000002e-10 2.1074190000000002e-10 2.0781030000000002e-10 2.0472260000000002e-10 2.0146130000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0459806 0.0599939 0.0735663 0.0838929 0.0861272 0.0831613 0.0816261 0.0837168 0.276992 1.19768 2.43339 -33.5105 -51.8903 -50.2272 -47.3948 -43.6554 -39.2795 -34.5435 -29.7308 -25.1305 -21.0386 -17.7531 -15.5701 -14.7799 -15.4405 -16.3729 -17.404 -18.5476 -19.8199 -21.2401 -22.8309 -24.6199 -26.6399 -28.931 -31.5423 -34.5343 -37.9826 -41.9819 -46.6531 -52.1514 -58.6795 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.36690429373004e-21 9.61208247625326e-21 1.1786620690983419e-20 1.344112441384986e-20 1.379909873918448e-20 1.3323909171306419e-20 1.3077943014454738e-20 1.3412910083325118e-20 4.43790110204928e-20 1.91889491100912e-19 3.89872059940926e-19 -5.3689740093656996e-18 -8.31374261912502e-18 -8.04728462312448e-18 -7.593484113310319e-18 -6.994366182792359e-18 -6.293269709520299e-18 -5.5344788556579e-18 -4.76339930701272e-18 -4.0263499900737e-18 -3.3707553332072395e-18 -2.8443602001065397e-18 -2.4946050409043397e-18 -2.36800104328566e-18 -2.4738408317277e-18 -2.62322778108186e-18 -2.7884282138135996e-18 -2.97165313367784e-18 -3.1754980668216597e-18 -3.4030391923823402e-18 -3.65791345131906e-18 -3.94454285114166e-18 -4.2681825312096595e-18 -4.6352572198254e-18 -5.0536336042618196e-18 -5.53300485315462e-18 -6.085483421856839e-18 -6.72624192309246e-18 -7.47465067236654e-18 -8.35557545103876e-18 -9.4014923794803e-18 ] } }